1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide

C24H29N5O2 — CID 16669340

IUPAC1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)Nc3ccc(N4CCOCC4)cc3)C2)nc2ccccc21
InChIInChI=1S/C24H29N5O2/c1-27-22-7-3-2-6-21(22)26-24(27)29-12-4-5-18(17-29)23(30)25-19-8-10-20(11-9-19)28-13-15-31-16-14-28/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,25,30)
InChIKeyBKOZEIAPVFIOIV-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.27
Rot. Bonds4

About 1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide

1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide (PubChem CID 16669340) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide
PubChem CID16669340
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)Nc3ccc(N4CCOCC4)cc3)C2)nc2ccccc21
InChIInChI=1S/C24H29N5O2/c1-27-22-7-3-2-6-21(22)26-24(27)29-12-4-5-18(17-29)23(30)25-19-8-10-20(11-9-19)28-13-15-31-16-14-28/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,25,30)
InChIKeyBKOZEIAPVFIOIV-UHFFFAOYSA-N
XLogP3.27
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 95808037
(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 95849384
1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171994514
1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 42880139
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
(3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36997778
N-(4-morpholin-4-ylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514499
1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 42880667
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46959580
(3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51494599

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide (CID 16669340) is 1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide is Cn1c(N2CCCC(C(=O)Nc3ccc(N4CCOCC4)cc3)C2)nc2ccccc21.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide?
The InChIKey is BKOZEIAPVFIOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-27-22-7-3-2-6-21(22)26-24(27)29-12-4-5-18(17-29)23(30)25-19-8-10-20(11-9-19)28-13-15-31-16-14-28/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,25,30).
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide?
1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 16669340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).